lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate

C160H151B2Br5Cl13LiN12O71S3 — CID 158154594

IUPAClithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate
SMILESBrB(Br)Br.BrCc1ccccc1.CC.CC(C)(C)ON=O.CO.COC(=O)c1cc(Cl)c(Br)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(O)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(OC)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(B(O)O)cc1.O.O=C(Cl)c1ccc(-c2c(Cl)cc(C(=O)Cl)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.O=C(O)c1ccc(-c2c(Cl)cc(C(=O)O)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C23H18ClNO7.C21H12Cl3NO5.C21H14ClNO7.C17H14ClNO7.C16H12ClNO7.C11H11ClN2O6.C11H12ClNO4.C9H7BrClNO5.C9H9ClN2O5.C8H9BO4.C7H7Br.C4H9NO2.C2H6.CH4O.BBr3.Cl2OS.Li.2H2O4S.2H2O/c1-30-22(26)16-10-8-15(9-11-16)19-18(24)12-17(23(27)31-2)21(20(19)25(28)29)32-13-14-6-4-3-5-7-14;22-16-10-15(21(24)27)19(30-11-12-4-2-1-3-5-12)18(25(28)29)17(16)13-6-8-14(9-7-13)20(23)26;22-16-10-15(21(26)27)19(30-11-12-4-2-1-3-5-12)18(23(28)29)17(16)13-6-8-14(9-7-13)20(24)25;1-24-15-11(17(21)26-3)8-12(18)13(14(15)19(22)23)9-4-6-10(7-5-9)16(20)25-2;1-24-15(20)9-5-3-8(4-6-9)12-11(17)7-10(16(21)25-2)14(19)13(12)18(22)23;1-5(15)13-8-7(12)4-6(11(16)20-3)10(19-2)9(8)14(17)18;1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3;1-16-8-4(9(13)17-2)3-5(11)6(10)7(8)12(14)15;1-16-8-4(9(13)17-2)3-5(10)6(11)7(8)12(14)15;1-13-8(10)6-2-4-7(5-3-6)9(11)12;8-6-7-4-2-1-3-5-7;1-4(2,3)7-5-6;2*1-2;2-1(3)4;1-4(2)3;;2*1-5(2,3)4;;/h3-12H,13H2,1-2H3;1-10H,11H2;1-10H,11H2,(H,24,25)(H,26,27);4-8H,1-3H3;3-7,19H,1-2H3;4H,1-3H3,(H,13,15);4-5H,1-3H3,(H,13,14);3H,1-2H3;3H,11H2,1-2H3;2-5,11-12H,1H3;1-5H,6H2;1-3H3;1-2H3;2H,1H3;;;;2*(H2,1,2,3,4);2*1H2/q;;;;;;;;;;;;;;;;+1;;;;/p-1
InChIKeyGRNVCIXRTAISJA-UHFFFAOYSA-M
MW4363.16 g/mol
LogP33.18
Rot. Bonds47

About lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate

lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate (PubChem CID 158154594) has the molecular formula C160H151B2Br5Cl13LiN12O71S3 and a molecular weight of 4363.16 g/mol. Its IUPAC name is lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate
PubChem CID158154594
Molecular FormulaC160H151B2Br5Cl13LiN12O71S3
Molecular Weight4363.16 g/mol
Exact Mass4350.00
IUPAC Namelithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate
SMILESBrB(Br)Br.BrCc1ccccc1.CC.CC(C)(C)ON=O.CO.COC(=O)c1cc(Cl)c(Br)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(O)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(OC)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(B(O)O)cc1.O.O=C(Cl)c1ccc(-c2c(Cl)cc(C(=O)Cl)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.O=C(O)c1ccc(-c2c(Cl)cc(C(=O)O)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C23H18ClNO7.C21H12Cl3NO5.C21H14ClNO7.C17H14ClNO7.C16H12ClNO7.C11H11ClN2O6.C11H12ClNO4.C9H7BrClNO5.C9H9ClN2O5.C8H9BO4.C7H7Br.C4H9NO2.C2H6.CH4O.BBr3.Cl2OS.Li.2H2O4S.2H2O/c1-30-22(26)16-10-8-15(9-11-16)19-18(24)12-17(23(27)31-2)21(20(19)25(28)29)32-13-14-6-4-3-5-7-14;22-16-10-15(21(24)27)19(30-11-12-4-2-1-3-5-12)18(25(28)29)17(16)13-6-8-14(9-7-13)20(23)26;22-16-10-15(21(26)27)19(30-11-12-4-2-1-3-5-12)18(23(28)29)17(16)13-6-8-14(9-7-13)20(24)25;1-24-15-11(17(21)26-3)8-12(18)13(14(15)19(22)23)9-4-6-10(7-5-9)16(20)25-2;1-24-15(20)9-5-3-8(4-6-9)12-11(17)7-10(16(21)25-2)14(19)13(12)18(22)23;1-5(15)13-8-7(12)4-6(11(16)20-3)10(19-2)9(8)14(17)18;1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3;1-16-8-4(9(13)17-2)3-5(11)6(10)7(8)12(14)15;1-16-8-4(9(13)17-2)3-5(10)6(11)7(8)12(14)15;1-13-8(10)6-2-4-7(5-3-6)9(11)12;8-6-7-4-2-1-3-5-7;1-4(2,3)7-5-6;2*1-2;2-1(3)4;1-4(2)3;;2*1-5(2,3)4;;/h3-12H,13H2,1-2H3;1-10H,11H2;1-10H,11H2,(H,24,25)(H,26,27);4-8H,1-3H3;3-7,19H,1-2H3;4H,1-3H3,(H,13,15);4-5H,1-3H3,(H,13,14);3H,1-2H3;3H,11H2,1-2H3;2-5,11-12H,1H3;1-5H,6H2;1-3H3;1-2H3;2H,1H3;;;;2*(H2,1,2,3,4);2*1H2/q;;;;;;;;;;;;;;;;+1;;;;/p-1
InChIKeyGRNVCIXRTAISJA-UHFFFAOYSA-M
XLogP33.18
TPSA1248.57 Ų
H-Bond Donors13
H-Bond Acceptors66
Rotatable Bonds47
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004363.16
LogP ≤ 533.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1066

Analyze lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate?
The IUPAC name of lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate (CID 158154594) is lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate.
What is the SMILES notation for lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate?
The canonical SMILES for lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate is BrB(Br)Br.BrCc1ccccc1.CC.CC(C)(C)ON=O.CO.COC(=O)c1cc(Cl)c(Br)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1OC.COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(O)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(OC)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(-c2c(Cl)cc(C(=O)OC)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.COC(=O)c1ccc(B(O)O)cc1.O.O=C(Cl)c1ccc(-c2c(Cl)cc(C(=O)Cl)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.O=C(O)c1ccc(-c2c(Cl)cc(C(=O)O)c(OCc3ccccc3)c2[N+](=O)[O-])cc1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(Cl)Cl.[Li+].[OH-].
What is the InChIKey of lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate?
The InChIKey is GRNVCIXRTAISJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18ClNO7.C21H12Cl3NO5.C21H14ClNO7.C17H14ClNO7.C16H12ClNO7.C11H11ClN2O6.C11H12ClNO4.C9H7BrClNO5.C9H9ClN2O5.C8H9BO4.C7H7Br.C4H9NO2.C2H6.CH4O.BBr3.Cl2OS.Li.2H2O4S.2H2O/c1-30-22(26)16-10-8-15(9-11-16)19-18(24)12-17(23(27)31-2)21(20(19)25(28)29)32-13-14-6-4-3-5-7-14;22-16-10-15(21(24)27)19(30-11-12-4-2-1-3-5-12)18(25(28)29)17(16)13-6-8-14(9-7-13)20(23)26;22-16-10-15(21(26)27)19(30-11-12-4-2-1-3-5-12)18(23(28)29)17(16)13-6-8-14(9-7-13)20(24)25;1-24-15-11(17(21)26-3)8-12(18)13(14(15)19(22)23)9-4-6-10(7-5-9)16(20)25-2;1-24-15(20)9-5-3-8(4-6-9)12-11(17)7-10(16(21)25-2)14(19)13(12)18(22)23;1-5(15)13-8-7(12)4-6(11(16)20-3)10(19-2)9(8)14(17)18;1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3;1-16-8-4(9(13)17-2)3-5(11)6(10)7(8)12(14)15;1-16-8-4(9(13)17-2)3-5(10)6(11)7(8)12(14)15;1-13-8(10)6-2-4-7(5-3-6)9(11)12;8-6-7-4-2-1-3-5-7;1-4(2,3)7-5-6;2*1-2;2-1(3)4;1-4(2)3;;2*1-5(2,3)4;;/h3-12H,13H2,1-2H3;1-10H,11H2;1-10H,11H2,(H,24,25)(H,26,27);4-8H,1-3H3;3-7,19H,1-2H3;4H,1-3H3,(H,13,15);4-5H,1-3H3,(H,13,14);3H,1-2H3;3H,11H2,1-2H3;2-5,11-12H,1H3;1-5H,6H2;1-3H3;1-2H3;2H,1H3;;;;2*(H2,1,2,3,4);2*1H2/q;;;;;;;;;;;;;;;;+1;;;;/p-1.
What are the key properties of lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate?
lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate has a molecular weight of 4363.16 g/mol, XLogP of 33.18, 47 rotatable bonds, 13 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bromomethylbenzene;tert-butyl nitrite;4-(4-carbonochloridoylphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoyl chloride;4-(4-carboxyphenyl)-5-chloro-3-nitro-2-phenylmethoxybenzoic acid;ethane;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-acetamido-5-chloro-2-methoxybenzoate;methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate;methyl 4-bromo-5-chloro-2-methoxy-3-nitrobenzoate;methyl 5-chloro-2-hydroxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;methyl 5-chloro-4-(4-methoxycarbonylphenyl)-3-nitro-2-phenylmethoxybenzoate;methyl 5-chloro-2-methoxy-4-(4-methoxycarbonylphenyl)-3-nitrobenzoate;sulfuric acid;thionyl dichloride;tribromoborane;hydroxide;hydrate is sourced from PubChem (CID 158154594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).